4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

C10H10F3N5O — CID 692461

IUPAC4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFC(F)(F)c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-5-19-6-4-17/h1-2H,3-6H2
InChIKeyKQCWRNBMVRJYRU-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.98
Rot. Bonds1

About 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (PubChem CID 692461) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
PubChem CID692461
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFC(F)(F)c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-5-19-6-4-17/h1-2H,3-6H2
InChIKeyKQCWRNBMVRJYRU-UHFFFAOYSA-N
XLogP0.98
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The IUPAC name of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (CID 692461) is 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is FC(F)(F)c1nnc2ccc(N3CCOCC3)nn12.
What is the InChIKey of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The InChIKey is KQCWRNBMVRJYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)9-15-14-7-1-2-8(16-18(7)9)17-3-5-19-6-4-17/h1-2H,3-6H2.
What are the key properties of 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine has a molecular weight of 273.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 692461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).